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CHEBI:100719 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide

ChEBI IDCHEBI:100719
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
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DownloadsMolfile
FormulaC21H35F3N2O4
Net Charge0
Average Mass436.515
Monoisotopic Mass436.25489
SMILESO=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1)NCC1CCCCC1
InChIInChI=1S/C21H35F3N2O4/c22-21(23,24)8-9-26-12-16(27)13-29-14-19-18(26)7-6-17(30-19)10-20(28)25-11-15-4-2-1-3-5-15/h15-19,27H,1-14H2,(H,25,28)/t16-,17+,18+,19-/m1/s1
InChIKeyLOZCXWBJFMLABO-YDZRNGNQSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide (CHEBI:100719) is a oxanes (CHEBI:46942)
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